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Home > Nitro Compounds > 864071-82-9
864071-82-9 | N'-Nitrosonornicotine-N-b-D-glucuronide
CAS No: 864071-82-9 Catalog No: AG00GVSQ MDL No:
Product Description
Catalog Number:
AG00GVSQ
Chemical Name:
N'-Nitrosonornicotine-N-b-D-glucuronide
CAS Number:
864071-82-9
IUPAC Name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-nitrosopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
InChI:
InChI=1S/C15H19N3O7/c19-10-11(20)13(15(22)23)25-14(12(10)21)17-5-1-3-8(7-17)9-4-2-6-18(9)16-24/h1,3,5,7,9-14,19-21H,2,4,6H2/t9-,10-,11-,12+,13-,14+/m0/s1
InChI Key:
PSNAJRIZSDTBSS-ARFNZGECSA-N
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
353.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.331g/mol
Monoisotopic Mass:
353.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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